2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C22H17Cl2F3N6S — CID 24883307

IUPAC2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2nc(N3CCCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
InChIInChI=1S/C22H17Cl2F3N6S/c23-14-4-3-5-15(24)16(14)29-21-30-17-18(28-13-8-6-12(7-9-13)22(25,26)27)31-20(32-19(17)34-21)33-10-1-2-11-33/h3-9H,1-2,10-11H2,(H,29,30)(H,28,31,32)
InChIKeyHVPAIQVFVDQDHF-UHFFFAOYSA-N
MW525.39 g/mol
LogP7.50
Rot. Bonds5

About 2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 24883307) has the molecular formula C22H17Cl2F3N6S and a molecular weight of 525.39 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID24883307
Molecular FormulaC22H17Cl2F3N6S
Molecular Weight525.39 g/mol
Exact Mass524.06
IUPAC Name2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2nc(N3CCCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
InChIInChI=1S/C22H17Cl2F3N6S/c23-14-4-3-5-15(24)16(14)29-21-30-17-18(28-13-8-6-12(7-9-13)22(25,26)27)31-20(32-19(17)34-21)33-10-1-2-11-33/h3-9H,1-2,10-11H2,(H,29,30)(H,28,31,32)
InChIKeyHVPAIQVFVDQDHF-UHFFFAOYSA-N
XLogP7.50
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.39
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N2-(2,6-dichlorophenyl)-N5-isobutyl-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,5,7-triamine
CID 24882754
N7-(4-tert-butylphenyl)-N2-(2,6-dichlorophenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882958
N2-(2,6-dichlorophenyl)-N7-(4-(pyrrolidin-1-ylsulfonyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 44569894
N7-(3-chloro-4-fluorophenyl)-N2-(4-(pyrrolidin-1-ylmethyl)phenyl)thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 16037085
N2-(2,6-dichlorophenyl)-N5-isopropyl-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,5,7-triamine
CID 24882876
N2-(2,6-dichlorophenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
N2-(2,6-dichlorophenyl)-N7-(6-(trifluoromethyl)pyridin-3-yl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882957
Thiazolo[5,4-d]pyrimidine-2,7-diamine, N7-[3-chloro-4-(trifluoromethyl)phenyl]-N2-(2,6-dichlorophenyl)-
CID 24882959
N2-(2,6-dimethylphenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883004
N2-(2-chloro-6-methylphenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883048
N2-(2-chlorophenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883050
N7-(3-chloro-4-(trifluoromethyl)phenyl)-N2-(2,6-dichlorophenyl)-5-methylthiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883145

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 24883307) is 2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is FC(F)(F)c1ccc(Nc2nc(N3CCCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1.
What is the InChIKey of 2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is HVPAIQVFVDQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N6S/c23-14-4-3-5-15(24)16(14)29-21-30-17-18(28-13-8-6-12(7-9-13)22(25,26)27)31-20(32-19(17)34-21)33-10-1-2-11-33/h3-9H,1-2,10-11H2,(H,29,30)(H,28,31,32).
What are the key properties of 2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 525.39 g/mol, XLogP of 7.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 24883307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).